REMARK Name = BDB065073 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.554 1.547 -0.501 0.00 0.00 +0.169 A ATOM 2 N LIG 1 -1.848 0.612 -1.161 0.00 0.00 -0.209 NA ATOM 3 C LIG 1 -1.262 0.988 -2.316 0.00 0.00 +0.148 A ATOM 4 C LIG 1 -1.392 2.269 -2.831 0.00 0.00 +0.036 A ATOM 5 C LIG 1 -0.758 2.649 -4.083 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -0.046 1.735 -4.749 0.00 0.00 +0.071 A ATOM 7 C LIG 1 0.115 0.347 -4.245 0.00 0.00 +0.253 A ATOM 8 O LIG 1 0.774 -0.440 -4.920 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 -2.156 3.142 -2.084 0.00 0.00 +0.124 A ATOM 10 N LIG 1 -0.499 0.036 -3.044 0.00 0.00 -0.288 N ATOM 11 N LIG 1 -2.753 2.808 -0.924 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -2.462 0.992 1.918 0.00 0.00 +0.229 A ATOM 13 C LIG 1 -3.182 1.151 0.744 0.00 0.00 +0.102 A ATOM 14 C LIG 1 -4.551 0.906 0.842 0.00 0.00 +0.062 A ATOM 15 N LIG 1 -5.122 0.544 2.022 0.00 0.00 -0.239 NA ATOM 16 C LIG 1 -4.318 0.419 3.084 0.00 0.00 +0.225 A ATOM 17 N LIG 1 -3.000 0.622 3.097 0.00 0.00 -0.201 NA BRANCH 14 18 ATOM 18 C LIG 1 -5.478 1.041 -0.354 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -5.415 0.029 -1.477 0.00 0.00 +0.010 C ATOM 20 C LIG 1 -6.602 0.050 -0.563 0.00 0.00 +0.010 C ENDBRANCH 14 18 BRANCH 12 22 ATOM 21 C LIG 1 -0.450 1.140 3.130 0.00 0.00 +0.279 C ATOM 22 O LIG 1 -1.100 1.239 1.868 0.00 0.00 -0.479 OA ENDBRANCH 12 22 ENDBRANCH 1 13 BRANCH 10 23 ATOM 23 C LIG 1 -0.328 -1.301 -2.487 0.00 0.00 +0.162 C BRANCH 23 24 ATOM 24 C LIG 1 0.824 -1.387 -1.509 0.00 0.00 -0.027 A ATOM 25 C LIG 1 0.596 -1.362 -0.129 0.00 0.00 +0.007 A ATOM 26 C LIG 1 1.659 -1.430 0.784 0.00 0.00 +0.028 A ATOM 27 C LIG 1 2.979 -1.520 0.336 0.00 0.00 +0.066 A ATOM 28 C LIG 1 3.205 -1.548 -1.054 0.00 0.00 +0.028 A ATOM 29 C LIG 1 2.143 -1.480 -1.963 0.00 0.00 +0.007 A BRANCH 27 30 ATOM 30 N LIG 1 4.111 -1.592 1.215 0.00 0.00 -0.236 N ATOM 31 C LIG 1 4.213 -1.515 2.605 0.00 0.00 +0.042 A ATOM 32 C LIG 1 3.114 -1.280 3.572 0.00 0.00 +0.066 C ATOM 33 C LIG 1 5.550 -1.681 2.908 0.00 0.00 +0.057 A ATOM 34 C LIG 1 6.218 -1.830 1.678 0.00 0.00 +0.166 A ATOM 35 N LIG 1 5.346 -1.768 0.661 0.00 0.00 -0.162 NA BRANCH 34 36 ATOM 36 C LIG 1 7.695 -2.036 1.475 0.00 0.00 +0.436 C ATOM 37 F LIG 1 7.995 -3.325 1.157 0.00 0.00 -0.164 F ATOM 38 F LIG 1 8.401 -1.749 2.606 0.00 0.00 -0.164 F ATOM 39 F LIG 1 8.213 -1.251 0.493 0.00 0.00 -0.164 F ENDBRANCH 34 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 10 23 TORSDOF 7